SCHEMBL17538496

SCHEMBL17538496

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.86
ERBB2 P04626 7/20 0.84
KDR P35968 2/20 0.79
ERBB3 P21860 3/20 0.77
DUS2 Q9NX74 1/20 0.77
KIT P10721 2/20 0.70
SRC P12931 2/20 0.70
ERBB4 Q15303 2/20 0.70
BMPR1B O00238 1/20 0.70
CIT O14578 1/20 0.70
MAP2K7 O14733 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
MAP3K7 O43318 1/20 0.70
RIPK2 O43353 1/20 0.70
STK17B O94768 1/20 0.70
STK10 O94804 1/20 0.70
ABL1 P00519 1/20 0.70
LCK P06239 1/20 0.70
FYN P06241 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19480001 0.92 EGFR (0.83) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538532 0.91 EGFR (1.00) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538534 0.91 EGFR (1.00) EGFRERBB2KDRERBB3DUS2
SCHEMBL19027162 0.91 EGFR (0.88) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538531 0.91 EGFR (0.84) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538540 0.91 EGFR (0.87) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538533 0.91 EGFR (0.87) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538488 0.90 EGFR (0.81) EGFRERBB2KDRSRCERBB4
SCHEMBL17538499 0.90 EGFR (0.85) EGFRERBB2KDRERBB3DUS2
SCHEMBL17538530 0.89 EGFR (0.84) EGFRERBB2KDRERBB3DUS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof ARROMAX PHARMATECH CO., LTD. (CN) 2019-02-05 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
EP-3181553-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Arromax Pharmatech Co., Ltd. (CN) 2017-06-21 EP disclosed
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR EGFR 3/4885ERBB2 18/4885KDR 133/4885
US-10196365-B2 Quinazoline derivative, preparation method therefor, and pharmaceutical composition and application thereof WEE1, WEE2, EGFR EGFR 3/4885ERBB2 18/4885KDR 133/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.